bis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene

C179H174O22S4 — CID 167557969

About bis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene

bis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene (PubChem CID 167557969) has the molecular formula C179H174O22S4 and a molecular weight of 2805.61 g/mol. Its IUPAC name is bis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene.

Molecular Properties

• Compound Name: bis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene
• PubChem CID: 167557969
• Molecular Formula: C179H174O22S4
• Molecular Weight: 2805.61 g/mol
• Exact Mass: 2803.14
• IUPAC Name: bis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene
• SMILES: C=CCc1cc(C(C)(C)c2ccc(O)c(CC=C)c2)ccc1O.C=CCc1cc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(S(=O)(=O)c8ccc(Oc9ccc(C(C)(C)c%10ccc(Oc%11ccc(S(=O)(=O)c%12ccc(OC)cc%12)cc%11)c(CC=C)c%10)cc9CC=C)cc8)cc7)c(/C=C/C)c6)cc5/C=C/C)cc4)cc3)c(/C=C/C)c2)ccc1Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(C)cc4)cc3)cc2)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
• InChI: InChI=1S/C128H118O16S4.C21H24O2.2C15H16O2/c1-17-23-88-81-96(35-75-119(88)139-105-47-63-113(64-48-105)145(129,130)111-59-43-102(137-16)44-60-111)126(10,11)98-37-77-121(90(83-98)25-19-3)141-107-51-67-115(68-52-107)147(133,134)117-71-55-109(56-72-117)143-123-79-39-100(85-92(123)27-21-5)128(14,15)101-40-80-124(93(86-101)28-22-6)144-110-57-73-118(74-58-110)148(135,136)116-69-53-108(54-70-116)142-122-78-38-99(84-91(122)26-20-4)127(12,13)97-36-76-120(89(82-97)24-18-2)140-106-49-65-114(66-50-106)146(131,132)112-61-45-104(46-62-112)138-103-41-33-95(34-42-103)125(8,9)94-31-29-87(7)30-32-94;1-5-7-15-13-17(9-11-19(15)22)21(3,4)18-10-12-20(23)16(14-18)8-6-2;2*1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h17-22,26-86H,1-3,23-25H2,4-16H3;5-6,9-14,22-23H,1-2,7-8H2,3-4H3;2*3-10,16-17H,1-2H3/b26-20+,27-21+,28-22+
• InChIKey: DGNPVHCZOBPUJQ-DGQHXXTHSA-N
• XLogP: 44.20
• TPSA: 331.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 50
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2805.61
LogP ≤ 5	44.20
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene?

The IUPAC name of bis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene (CID 167557969) is bis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene.

What is the SMILES notation for bis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene?

The canonical SMILES for bis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene is C=CCc1cc(C(C)(C)c2ccc(O)c(CC=C)c2)ccc1O.C=CCc1cc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(S(=O)(=O)c8ccc(Oc9ccc(C(C)(C)c%10ccc(Oc%11ccc(S(=O)(=O)c%12ccc(OC)cc%12)cc%11)c(CC=C)c%10)cc9CC=C)cc8)cc7)c(/C=C/C)c6)cc5/C=C/C)cc4)cc3)c(/C=C/C)c2)ccc1Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(C)cc4)cc3)cc2)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.

What is the InChIKey of bis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene?

The InChIKey is DGNPVHCZOBPUJQ-DGQHXXTHSA-N. The full InChI is InChI=1S/C128H118O16S4.C21H24O2.2C15H16O2/c1-17-23-88-81-96(35-75-119(88)139-105-47-63-113(64-48-105)145(129,130)111-59-43-102(137-16)44-60-111)126(10,11)98-37-77-121(90(83-98)25-19-3)141-107-51-67-115(68-52-107)147(133,134)117-71-55-109(56-72-117)143-123-79-39-100(85-92(123)27-21-5)128(14,15)101-40-80-124(93(86-101)28-22-6)144-110-57-73-118(74-58-110)148(135,136)116-69-53-108(54-70-116)142-122-78-38-99(84-91(122)26-20-4)127(12,13)97-36-76-120(89(82-97)24-18-2)140-106-49-65-114(66-50-106)146(131,132)112-61-45-104(46-62-112)138-103-41-33-95(34-42-103)125(8,9)94-31-29-87(7)30-32-94;1-5-7-15-13-17(9-11-19(15)22)21(3,4)18-10-12-20(23)16(14-18)8-6-2;2*1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h17-22,26-86H,1-3,23-25H2,4-16H3;5-6,9-14,22-23H,1-2,7-8H2,3-4H3;2*3-10,16-17H,1-2H3/b26-20+,27-21+,28-22+;;;.

What are the key properties of bis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene?

bis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene has a molecular weight of 2805.61 g/mol, XLogP of 44.20, 50 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene is sourced from PubChem (CID 167557969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).